Thermal conductivities of graphene nanoribbons (GNRs) and carbon
nanotubes (CNTs) are systematically investigated by employing
nonequilibrium molecular dynamics. It is found that with the same size,
the thermal conductivity of armchair GNR (AGNR) is smaller than that of
zigzag CNT, while thermal conductivity of zigzag GNR (ZGNR) is larger
than that of armchair CNT. The phonon participation ratios and local
vibrational densities of states of GNRs (CNTs) demonstrate that the
edges of the ZGNR are beneficial to the heat transport, while the edges
of the AGNR are completely opposite. All these results are very helpful
for us to understand the thermal transport mechanism in carbon-based
nanostructures. (C) 2014 AIP Publishing LLC.